N-(2-methoxy-5-nitro-phenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(4-keto-3-methyl-quinazolin-2-yl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C19H18N4O5S/c1-11(17(24)20-15-10-12(23(26)27)8-9-16(15)28-3)29-19-21-14-7-5-4-6-13(14)18(25)22(19)2/h4-11H,1-3H3,(H,20,24)